Geometry & MOs

Info

ID:	360370
PubChem CID:	127301015
Reduced:	O2N5C19H23 (1)
Stoich.:	A2B5C19D23 (1)
Weight, g/mol:	382.191738
ΔH_f, kcal/mol:	-26.51
Dipole, Da:	6.81
IP(EA), eV:	-9.65(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-1-[3-(1,2,4-triazol-1-yl)piperidin-1-yl]ethanone

Drug info:

PubChemData

Smile

C1CC(CN(C1)C(=O)CNC(=O)C2=CC3=C(CCC3)C=C2)N4C=NC=N4

DOS

IR

Vibrations